bicyclo[2.2.0]hexa-1,3,5-triene;sulfoformic acid

C7H6O5S — CID 87568820

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;sulfoformic acid
SMILESO=C(O)S(=O)(=O)O.c1cc2ccc1-2
InChIInChI=1S/C6H4.CH2O5S/c1-2-6-4-3-5(1)6;2-1(3)7(4,5)6/h1-4H;(H,2,3)(H,4,5,6)
InChIKeyQYFOEGZGFKTMGT-UHFFFAOYSA-N
MW202.19 g/mol
LogP1.22
Rot. Bonds

About bicyclo[2.2.0]hexa-1,3,5-triene;sulfoformic acid

bicyclo[2.2.0]hexa-1,3,5-triene;sulfoformic acid (PubChem CID 87568820) has the molecular formula C7H6O5S and a molecular weight of 202.19 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;sulfoformic acid.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;sulfoformic acid
PubChem CID87568820
Molecular FormulaC7H6O5S
Molecular Weight202.19 g/mol
Exact Mass201.99
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;sulfoformic acid
SMILESO=C(O)S(=O)(=O)O.c1cc2ccc1-2
InChIInChI=1S/C6H4.CH2O5S/c1-2-6-4-3-5(1)6;2-1(3)7(4,5)6/h1-4H;(H,2,3)(H,4,5,6)
InChIKeyQYFOEGZGFKTMGT-UHFFFAOYSA-N
XLogP1.22
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;sulfoformic acid?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;sulfoformic acid (CID 87568820) is bicyclo[2.2.0]hexa-1,3,5-triene;sulfoformic acid.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;sulfoformic acid?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;sulfoformic acid is O=C(O)S(=O)(=O)O.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;sulfoformic acid?
The InChIKey is QYFOEGZGFKTMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.CH2O5S/c1-2-6-4-3-5(1)6;2-1(3)7(4,5)6/h1-4H;(H,2,3)(H,4,5,6).
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;sulfoformic acid?
bicyclo[2.2.0]hexa-1,3,5-triene;sulfoformic acid has a molecular weight of 202.19 g/mol, XLogP of 1.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;sulfoformic acid is sourced from PubChem (CID 87568820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).